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PUBCHEM-ZINC04534310

 MMsINC code: MMs03130981
Type: Neutral
Formula: C19H28O11
SMILES:   O1C(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(O)C1OCc1ccccc1
InChI:   InChI=1/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12+,13+,14+,15+,16+,17+,18+,19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=157.83 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 432.422 g/mol  logS: -0.57036  SlogP: -2.9063  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158029  Sterimol/B1: 2.29897  Sterimol/B2: 3.40827  Sterimol/B3: 5.94949
  Sterimol/B4: 10.4028  Sterimol/L: 15.1441 
 
 Surface and Volume Properties
  Accessible surface: 684.533  Positive charged surface: 499.198  Negative charged surface: 185.335  Volume: 378.625
  Hydrophobic surface: 398.049  Hydrophilic surface: 286.484
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 11  Acid groups: 0  Basic groups: 0
  Chiral centers: 10
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.